@<TRIPOS>MOLECULE
DB01714
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3546    -0.9054     0.3599	O.2	1	noname	-0.2496
2	C1     3.2126    -1.3975     0.4873	C.2	1	noname	0.1437
3	O2     2.9510    -2.2406     1.5088	O.3	1	noname	-0.2140
4	C2     2.1617    -1.0605    -0.4685	C.3	1	noname	0.0912
5	N1     1.6930    -2.2787    -1.1272	N.3	1	noname	-0.3194
6	C3     0.9956    -0.3981     0.2681	C.3	1	noname	-0.0283
7	C4    -0.1057    -0.0450    -0.7336	C.3	1	noname	-0.0501
8	C5    -1.2717     0.6174     0.0030	C.3	1	noname	-0.0406
9	C6    -2.3730     0.9705    -0.9986	C.3	1	noname	-0.0051
10	N2    -3.4872     1.6035    -0.2948	N.3	1	noname	-0.3197
11	C7    -4.5396     1.9409    -1.2519	C.3	1	noname	-0.0164
12	H1     3.0292    -3.1473     1.2033	H	1	noname	0.2213
13	H2     2.5900    -0.4054    -1.2270	H	1	noname	0.0571
14	H3     0.7148    -2.3855    -1.3547	H	1	noname	0.1191
15	H4     2.3475    -3.0135    -1.3547	H	1	noname	0.1191
16	H5     0.5806    -1.1493     0.9402	H	1	noname	0.0288
17	H6     1.3707     0.5437     0.6684	H	1	noname	0.0288
18	H7     0.3093     0.7061    -1.4057	H	1	noname	0.0268
19	H8    -0.4807    -0.9869    -1.1339	H	1	noname	0.0268
20	H9    -1.6867    -0.1337     0.6751	H	1	noname	0.0279
21	H10    -0.8966     1.5593     0.4033	H	1	noname	0.0279
22	H11    -1.9739     1.7288    -1.6723	H	1	noname	0.0427
23	H12    -2.7640     0.0358    -1.4006	H	1	noname	0.0427
24	H13    -3.5242     1.7802     0.6989	H	1	noname	0.1218
25	H14    -5.4418     2.2302    -0.7130	H	1	noname	0.0391
26	H15    -4.2090     2.7696    -1.8782	H	1	noname	0.0391
27	H16    -4.7526     1.0746    -1.8782	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	11	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1